1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine

C9H17NO2 — CID 103544082

IUPAC1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine
SMILESCC(C)=CC(N)CC1OCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h5,8-9H,3-4,6,10H2,1-2H3
InChIKeyWIFZERMYAIUKMS-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine

1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine (PubChem CID 103544082) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine
PubChem CID103544082
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine
SMILESCC(C)=CC(N)CC1OCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h5,8-9H,3-4,6,10H2,1-2H3
InChIKeyWIFZERMYAIUKMS-UHFFFAOYSA-N
XLogP1.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine (CID 103544082) is 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine is CC(C)=CC(N)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine?
The InChIKey is WIFZERMYAIUKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h5,8-9H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine?
1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-4-methylpent-3-en-2-amine is sourced from PubChem (CID 103544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).